[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-keto-2-[3-(methylcarbamoyl)anilino]ethyl] ester Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4S/c1-26-24(31)18-9-5-10-19(13-18)27-22(30)16-33-25(32)20-15-29(14-17-7-3-2-4-8-17)28-23(20)21-11-6-12-34-21/h2-13,15H,14,16H2,1H3,(H,26,31)(H,27,30)